SCHEMBL6661677

SCHEMBL6661677

O=C1c2ccccc2C(=O)c2c1cccc2N1CCN(CCO)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 1.00
NPSR1 Q6W5P4 2/20 1.00
EGFR P00533 2/20 0.68
MAPK1 P28482 2/20 0.68
KMT2A Q03164 2/20 0.68
LMNA P02545 1/20 0.68
L3MBTL1 Q9Y468 3/20 0.67
TDP1 Q9NUW8 2/20 0.67
ALDH1A1 P00352 1/20 0.64
RAF1 P04049 1/20 0.64
ALOX12 P18054 1/20 0.64
MAP2K1 Q02750 1/20 0.64
MEN1 O00255 1/20 0.59
NPC1 O15118 1/20 0.59
RAB9A P51151 1/20 0.59
DRD2 P14416 7/20 0.52
DRD3 P35462 7/20 0.52
DRD4 P21917 5/20 0.48
HTR6 P50406 4/20 0.48
NSD2 O96028 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7759715 0.80 MAPT (0.65) MAPTNPSR1EGFRMAPK1KMT2A
SCHEMBL2463193 0.79 MAPT (1.00) MAPTNPSR1EGFRMAPK1KMT2A
SCHEMBL3273424 0.77 MAPT (0.97) MAPTNPSR1EGFRMAPK1KMT2A
SCHEMBL11110078 0.76 MAPT (0.61) MAPTNPSR1MAPK1KMT2AALDH1A1
SCHEMBL15743195 0.76 MAPT (0.61) MAPTNPSR1LMNAALDH1A1DRD2
SCHEMBL3418386 0.76 MAPT (0.90) MAPTNPSR1EGFRMAPK1KMT2A
SCHEMBL6660403 0.75 MAPT (0.69) MAPTNPSR1EGFRMAPK1KMT2A
SCHEMBL20046958 0.75 MAPT (0.60) MAPTNPSR1LMNATDP1ALDH1A1
SCHEMBL7063665 0.75 MAPT (0.73) MAPTNPSR1EGFRMAPK1KMT2A
SCHEMBL14983914 0.75 MAPT (1.00) MAPTNPSR1EGFRMAPK1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090118135-A1 METHODS AND COMPOUNDS FOR REGULATING APOPTOSIS THE BURNHAM INSTITUTE (US) 2009-05-07 US disclosed
US-20090118135-A1 METHODS AND COMPOUNDS FOR REGULATING APOPTOSIS THE BURNHAM INSTITUTE (US) 2009-05-07 US disclosed
EP-1087935-B1 ANTHRACENE DERIVATIVES AS ANTI-CANCER AGENTS BTG INT LTD (GB) 2004-08-18 EP disclosed
US-20030203975-A1 Anti-cancer agents BTG INTERNATIONAL LIMITED (GB) 2003-10-30 US disclosed
US-20030130272-A1 Anthracene derivatives as anti-cancer agents BTG INTERNATIONAL LIMITED (GB) 2003-07-10 US disclosed
EP-1087935-A1 ANTHRACENE DERIVATIVES AS ANTI-CANCER AGENTS BTG INTERNATIONAL LIMITED (GB) 2001-04-04 EP disclosed
WO-1999065866-A1 ANTHRACENE DERIVATIVES AS ANTI-CANCER AGENTS BTG INTERNATIONAL LIMITED (GB) 1999-12-23 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030130272-A1 Anthracene derivatives as anti-cancer agents TOP2B, TOP1, TOP2A MAPT 4884/4885NPSR1 4131/4885EGFR 2079/4885
US-20090118135-A1 METHODS AND COMPOUNDS FOR REGULATING APOPTOSIS BCL2, BAX, BAD MAPT 3866/4885NPSR1 4833/4885EGFR 4028/4885
US-20030203975-A1 Anti-cancer agents TOP2B, TOP2A, TOP1 MAPT 4879/4885NPSR1 2757/4885EGFR 1444/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.